2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide

C23H29FN4O4 — CID 46555458

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C23H29FN4O4/c1-4-5-18(28-23(31)26-13-16-7-9-17(24)10-8-16)22(30)25-14-21(29)27-19-12-15(2)6-11-20(19)32-3/h6-12,18H,4-5,13-14H2,1-3H3,(H,25,30)(H,27,29)(H2,26,28,31)
InChIKeyLMJKMBFTCWJCHD-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.87
Rot. Bonds10

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide (PubChem CID 46555458) has the molecular formula C23H29FN4O4 and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide
PubChem CID46555458
Molecular FormulaC23H29FN4O4
Molecular Weight444.51 g/mol
Exact Mass444.22
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C23H29FN4O4/c1-4-5-18(28-23(31)26-13-16-7-9-17(24)10-8-16)22(30)25-14-21(29)27-19-12-15(2)6-11-20(19)32-3/h6-12,18H,4-5,13-14H2,1-3H3,(H,25,30)(H,27,29)(H2,26,28,31)
InChIKeyLMJKMBFTCWJCHD-UHFFFAOYSA-N
XLogP2.87
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24606174
2-[[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27201256
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide
CID 24634494
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide (CID 46555458) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide?
The InChIKey is LMJKMBFTCWJCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4/c1-4-5-18(28-23(31)26-13-16-7-9-17(24)10-8-16)22(30)25-14-21(29)27-19-12-15(2)6-11-20(19)32-3/h6-12,18H,4-5,13-14H2,1-3H3,(H,25,30)(H,27,29)(H2,26,28,31).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide has a molecular weight of 444.51 g/mol, XLogP of 2.87, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 46555458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).